Information card for entry 7251112

Structure parameters

• Formula: C10 H8 Ag Br2 N3 O3
• Calculated formula: C10 H8 Ag Br2 N3 O3
• Title of publication: Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies
• Authors of publication: Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 13.5949 ± 0.0008 Å
• b: 15.0778 ± 0.001 Å
• c: 7.1886 ± 0.0005 Å
• α: 90°
• β: 100.67 ± 0.006°
• γ: 90°
• Cell volume: 1448.05 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No